SCHEMBL22758523

SCHEMBL22758523

CCOc1cncc(-c2ccc(NC(=O)Cc3ccnc(NSC4CC4)n3)nc2)n1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21387638 0.91 CTPS1 (0.51) CTPS1
SCHEMBL24107102 0.86 CTPS1 (0.72) CTPS1
SCHEMBL24832441 0.84 CTPS1 (0.68) CTPS1
SCHEMBL21387730 0.83 CTPS1 (0.73) CTPS1
SCHEMBL21392129 0.83 CTPS1 (0.73) CTPS1
SCHEMBL22758553 0.83 CTPS1 (0.64) CTPS1
SCHEMBL21387603 0.83 CTPS1 (0.49) CTPS1
SCHEMBL24832439 0.81 CTPS1 (0.59) CTPS1
SCHEMBL21387683 0.81 CTPS1 (0.74) CTPS1
SCHEMBL21387729 0.81 CTPS1 (0.46) CTPS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020245664-A1 N-(5-(6-ETHOXYPYRAZIN-2-YL)PYRIDIN-2-YL)-4-(2-(METHYLSULFONAMIDO)PYRIMIDIN-4-YL) TETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HUMAN CTPS1 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES STEP PHARMA S.A.S. (FR) 2020-12-10 — — WO disclosed
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